SCHEMBL3375697

SCHEMBL3375697

Cc1cc(C(=O)NC23CC4CC(CC(N)(C4)C2)C3)nn1C

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.48
CNR2 P34972 6/20 0.47
CNR1 P21554 5/20 0.47
BAZ2B Q9UIF8 1/20 0.47
PBK Q96KB5 5/20 0.45
GRM5 P41594 1/20 0.41
POLB P06746 1/20 0.40
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
EPHX2 P34913 2/20 0.39
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3375695 0.86 HTT (0.47) HTTCNR2CNR1BAZ2BGRM5
SCHEMBL1885692 0.81 GRM5 (0.47) HTTCNR2CNR1BAZ2BGRM5
SCHEMBL1580450 0.81 GRM5 (0.47) HTTCNR2CNR1BAZ2BGRM5
SCHEMBL15163144 0.80 HTT (0.49) HTTCNR2CNR1BAZ2BPOLB
SCHEMBL2641143 0.80 GRM5 (0.58) CNR2CNR1PBKGRM5POLB
SCHEMBL3378224 0.80 PBK (0.53) CNR2CNR1PBKGRM5DPP8
SCHEMBL3375744 0.80 KDM4E (0.47) HTTCNR2CNR1PBKDPP8
SCHEMBL2638166 0.79 EPHX2 (0.51) CNR2PBKEPHX2
SCHEMBL15163187 0.76 GRM5 (0.41) HTTCNR2CNR1BAZ2BGRM5
SCHEMBL15162691 0.76 CNR2 (0.41) HTTCNR2CNR1BAZ2BGRM5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2310356-B1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME LUNDBECK & CO AS H (DK) 2013-08-14 EP claimed
US-20100022546-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2010-01-28 US claimed
US-8716284-B2 Adamantyl diamide derivatives and uses of same H. LUNDBECK A/S (DK) 2014-05-06 US disclosed
EP-2310356-B1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME LUNDBECK & CO AS H (DK) 2013-08-14 EP disclosed
US-20130184277-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2013-07-18 US disclosed
US-8389519-B2 Adamantyl diamide derivatives and uses of same H. LUNDBECK A/S (DK) 2013-03-05 US disclosed
US-20120270873-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2012-10-25 US disclosed
US-8198275-B2 Adamantyl diamide derivatives and uses of same H. LUNDBECK A/S (DK) 2012-06-12 US disclosed
US-20100022546-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2010-01-28 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120270873-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, PDE3B, ADM2 HTT 2046/4885CNR2 1628/4885CNR1 1450/4885
US-20130184277-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, PDE3B, ADM2 HTT 2220/4885CNR2 1603/4885CNR1 1363/4885
US-20100022546-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, ADM2, PDE3B HTT 2049/4885CNR2 1681/4885CNR1 1359/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.